4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole

C20H17NO2S — CID 141010481

IUPAC4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccsc2cccc1-2
InChIInChI=1S/C20H17NO2S/c1-14-17(21-20(23-14)15-6-3-2-4-7-15)10-12-22-18-11-13-24-19-9-5-8-16(18)19/h2-9,11,13H,10,12H2,1H3
InChIKeyGXCNSYJLHLQKKB-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.44
Rot. Bonds5

About 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole

4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 141010481) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole
PubChem CID141010481
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccsc2cccc1-2
InChIInChI=1S/C20H17NO2S/c1-14-17(21-20(23-14)15-6-3-2-4-7-15)10-12-22-18-11-13-24-19-9-5-8-16(18)19/h2-9,11,13H,10,12H2,1H3
InChIKeyGXCNSYJLHLQKKB-UHFFFAOYSA-N
XLogP5.44
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
CID 18003621
5-methyl-4-[2-[(7-nitro-1-benzothiophen-4-yl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 15485664
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
CID 10110882
(E)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]prop-2-enoic acid
CID 66700012
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
(Z)-2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]prop-2-enoic acid
CID 18003480
(Z)-3-methoxy-4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]but-3-en-2-one
CID 58995439
2-[5-methyl-2-(4-thiophen-2-ylphenyl)-1,3-oxazol-4-yl]ethyl 2-methylbenzenesulfonate
CID 86593520
N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 71083133
(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]-2-propoxypropanoic acid
CID 44591752

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole (CID 141010481) is 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCOc1ccsc2cccc1-2.
What is the InChIKey of 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is GXCNSYJLHLQKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-14-17(21-20(23-14)15-6-3-2-4-7-15)10-12-22-18-11-13-24-19-9-5-8-16(18)19/h2-9,11,13H,10,12H2,1H3.
What are the key properties of 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole?
4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 335.43 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 141010481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).